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FAQ for The Penguin Tyrant

I. VASP Build

Don't do it. Just don't do it. OK. If you have to do it, may your god(s) have mercy on your soul. Try to do this:

  • Make sure you load the modules: intel/compiler/64/***, intel/mkl/64/***, and intel-mpi/64/***.
  • Follow the instructions from here.
  • Use the Makefile in /cm/shared/apps/VASP/src/vasp.5.3 as a guide.

II. Building Modules

Modules are pretty easy when you get the hang of them. Basically all these $<VARIABLES> can be set in them, so that the user doesn't have to have big .bashrc entries.
As a starting point, look into the existing modulefiles at /cm/shared/modulefiles. Whatever is listed here get read out on a module avail call.
To write your own modules, take an existing modulefile (for all that tcl messaging at the beginning), and modify it according to this handy information. A workable template goes something like:

#%Module -*- tcl -*-
## dot modulefile
proc ModulesHelp { } {
    puts stderr "\tTell the user some help information here."
    puts stderr "\tLike maybe list what the module does."
module-whatis "This gives the output from [user@host]$ module whatis ****"
module-whatis "It can also be multilined."
### Here, list modules that conflict (e.g. openmpi vs. intel-mpi), modules to pre-load, and modules that are prerequired. 
conflict ****
module load ****
prereq ****
### Here you can set variables, append and prepend paths. 
set              app_version            <some number>
setenv           app_ROOT               /cm/shared/apps/<app dir>
append-path	 PATH                   /cm/shared/apps/.../<some path>

sysadminfaq.txt · Last modified: 2015/03/26 17:12 by admin